General Information of the Compound
| Compound ID |
CP0463730
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| Compound Name |
N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[1-(4-phenoxyphenyl)-2-phenylethyl]amino]ethyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C29H30N2O5S
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| Molecular Weight |
518.635
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C29H30N2O5S/c1-37(34,35)31-27-19-23(14-17-28(27)32)29(33)20-30-26(18-21-8-4-2-5-9-21)22-12-15-25(16-13-22)36-24-10-6-3-7-11-24/h2-17,19,26,29-33H,18,20H2,1H3/t26?,29-/m0/s1
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| InChIKey |
GRXKGMFBAMEGTB-BTMGADRYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound